3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide

C7H13N3O4 — CID 106670930

IUPAC3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESNC(CC(=O)N1CC(O)C(O)C1)=NO
InChIInChI=1S/C7H13N3O4/c8-6(9-14)1-7(13)10-2-4(11)5(12)3-10/h4-5,11-12,14H,1-3H2,(H2,8,9)
InChIKeyBYJYBYNVHXMGRK-UHFFFAOYSA-N
MW203.20 g/mol
LogP-2.31
Rot. Bonds2

About 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide

3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide (PubChem CID 106670930) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
PubChem CID106670930
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESNC(CC(=O)N1CC(O)C(O)C1)=NO
InChIInChI=1S/C7H13N3O4/c8-6(9-14)1-7(13)10-2-4(11)5(12)3-10/h4-5,11-12,14H,1-3H2,(H2,8,9)
InChIKeyBYJYBYNVHXMGRK-UHFFFAOYSA-N
XLogP-2.31
TPSA119.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-Hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
CID 123965943
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
CID 62941218
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide
CID 62941770
3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
CID 76911313
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
CID 76981264
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide
CID 76981269
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide
CID 76981284
N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
CID 76981285
3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 103536736
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide
CID 106669750
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 106670932
2-(3,4-dihydroxypyrrolidine-1-carbonyl)-N'-hydroxybutanimidamide
CID 106670936

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide (CID 106670930) is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide.
What is the SMILES notation for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The canonical SMILES for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide is NC(CC(=O)N1CC(O)C(O)C1)=NO.
What is the InChIKey of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The InChIKey is BYJYBYNVHXMGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c8-6(9-14)1-7(13)10-2-4(11)5(12)3-10/h4-5,11-12,14H,1-3H2,(H2,8,9).
What are the key properties of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide has a molecular weight of 203.20 g/mol, XLogP of -2.31, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide is sourced from PubChem (CID 106670930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).